CHEBI:190313 - Tetrahydrogestrinone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tetrahydrogestrinone
ChEBI ID CHEBI:190313
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O2
Net Charge 0
Average Mass 312.453
Monoisotopic Mass 312.20893
InChI InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
InChIKey OXHNQTSIKGHVBH-ANULTFPQSA-N
SMILES O[C@@]1([C@@]2([C@]([C@]3(C(C=C2)=C4C(CC3)=CC(=O)CC4)[H])(CC1)[H])CC)CC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in intestinal content (MEO:0000968). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing Tetrahydrogestrinone (CHEBI:190313) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Manual Xrefs Databases
17H PDBeChem
5257020 ChemSpider
DB06870 KEGG DRUG
HMDB0004626 HMDB
View more database links
Registry Number Type Source
618903-56-3 CAS Registry Number ChemIDplus